## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
123 |
33 |
13635 |
◊ |
A |
-x,y,-z |
2_555 |
116 |
30 |
13765 |
1099.3 |
-11.1 |
0.244 |
16 |
3 |
0 |
0.241 |
2 |
|
[LU8]A:501 |
31 |
1 |
702 |
f |
A |
x,y,z |
1_555 |
61 |
23 |
13765 |
431.2 |
-7.5 |
0.423 |
1 |
0 |
0 |
0.103 |
3 |
|
[LU8]B:501 |
31 |
1 |
704 |
f |
B |
x,y,z |
1_555 |
58 |
24 |
13635 |
425.6 |
-8.3 |
0.387 |
1 |
0 |
0 |
0.113 |
4 |
|
B |
45 |
12 |
13635 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
13765 |
376.0 |
0.3 |
0.761 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
30 |
9 |
13765 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
32 |
10 |
13635 |
234.1 |
-1.0 |
0.600 |
0 |
0 |
0 |
0.000 |
6 |
|
B |
20 |
4 |
13635 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
31 |
9 |
13635 |
224.3 |
-2.0 |
0.456 |
1 |
0 |
0 |
0.000 |
7 |
|
[LU8]A:507 |
20 |
1 |
708 |
f |
A |
x,y,z |
1_555 |
35 |
12 |
13765 |
224.1 |
-5.4 |
0.335 |
2 |
0 |
0 |
0.081 |
8 |
|
A |
24 |
5 |
13765 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
21 |
1 |
705 |
195.2 |
-3.5 |
0.451 |
0 |
0 |
0 |
0.000 |
9 |
|
[LU8]A:507 |
21 |
1 |
708 |
◊ |
B |
-x,y,-z |
2_555 |
27 |
9 |
13635 |
176.8 |
-3.3 |
0.449 |
0 |
0 |
0 |
0.042 |
10 |
|
B |
22 |
6 |
13635 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
22 |
6 |
13635 |
171.9 |
0.9 |
0.803 |
2 |
0 |
0 |
0.000 |
11 |
|
[LU8]A:508 |
16 |
1 |
705 |
◊ |
B |
-x,y,-z |
2_555 |
21 |
5 |
13635 |
150.0 |
-2.1 |
0.563 |
0 |
0 |
0 |
0.027 |
12 |
|
[T5Y]A:511 |
7 |
1 |
232 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
13765 |
140.3 |
5.3 |
0.508 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
15 |
6 |
13765 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
13 |
4 |
13635 |
138.2 |
1.5 |
0.876 |
5 |
0 |
0 |
0.000 |
14 |
|
B |
13 |
3 |
13635 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
14 |
4 |
13765 |
135.8 |
-1.1 |
0.439 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
15 |
4 |
13765 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
17 |
6 |
13765 |
135.5 |
0.9 |
0.778 |
5 |
2 |
0 |
0.000 |
16 |
|
[LU8]A:508 |
23 |
1 |
705 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
21 |
1 |
708 |
133.8 |
-1.9 |
0.789 |
0 |
0 |
0 |
0.024 |
17 |
|
[T5Y]A:510 |
7 |
1 |
230 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
13765 |
132.5 |
4.2 |
0.512 |
2 |
0 |
0 |
0.000 |
18 |
|
[T5Y]A:509 |
7 |
1 |
231 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13765 |
126.4 |
3.7 |
0.268 |
3 |
0 |
0 |
0.000 |
19 |
|
[T5Y]B:505 |
7 |
1 |
230 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
13635 |
124.3 |
4.1 |
0.363 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:503 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13765 |
114.6 |
4.0 |
0.529 |
2 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:503 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
13635 |
114.0 |
4.1 |
0.725 |
2 |
0 |
0 |
0.000 |
22 |
|
[LU8]A:508 |
12 |
1 |
705 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13765 |
107.5 |
-3.4 |
0.250 |
0 |
0 |
0 |
0.043 |
23 |
|
[SO4]A:512 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13765 |
104.6 |
-14.9 |
0.843 |
3 |
0 |
0 |
0.209 |
24 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
13765 |
104.3 |
3.8 |
0.499 |
3 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:506 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
13635 |
102.8 |
3.3 |
0.505 |
4 |
0 |
0 |
0.000 |
26 |
|
[SO4]B:502 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13635 |
100.3 |
-14.1 |
0.849 |
2 |
0 |
0 |
0.193 |
27 |
|
[SO4]A:514 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13765 |
94.4 |
-12.5 |
0.933 |
3 |
0 |
0 |
0.179 |
28 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13765 |
92.3 |
3.0 |
0.517 |
6 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:516 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13765 |
82.8 |
1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:518 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13765 |
81.4 |
2.8 |
0.316 |
2 |
0 |
0 |
0.000 |
31 |
|
[EDO]B:508 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13635 |
77.8 |
1.4 |
0.222 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:515 |
4 |
1 |
183 |
◊ |
B |
-x,y,-z |
2_555 |
9 |
5 |
13635 |
77.0 |
1.3 |
0.188 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:507 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
13635 |
73.4 |
1.2 |
0.656 |
2 |
0 |
0 |
0.000 |
34 |
|
[SO4]A:513 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13765 |
68.5 |
-9.7 |
0.817 |
2 |
0 |
0 |
0.137 |
35 |
|
[EDO]A:517 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13765 |
63.5 |
0.7 |
0.605 |
3 |
0 |
0 |
0.008 |
36 |
|
[EDO]A:504 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13765 |
62.8 |
1.9 |
0.894 |
1 |
0 |
0 |
0.000 |
37 |
|
B |
9 |
3 |
13635 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
1 |
704 |
58.1 |
0.2 |
0.606 |
0 |
0 |
0 |
0.000 |
38 |
|
[DMS]A:506 |
3 |
1 |
208 |
◊ |
B |
-x,y,-z |
2_555 |
6 |
2 |
13635 |
57.8 |
1.4 |
0.463 |
1 |
0 |
0 |
0.000 |
39 |
|
[SO4]A:513 |
4 |
1 |
184 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
6 |
3 |
13635 |
49.8 |
-6.2 |
0.803 |
1 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:505 |
4 |
1 |
185 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
8 |
2 |
13635 |
48.0 |
1.1 |
0.793 |
1 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:516 |
3 |
1 |
185 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
7 |
1 |
705 |
43.2 |
0.6 |
0.810 |
0 |
0 |
0 |
0.000 |
42 |
|
[DMS]B:504 |
3 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
13635 |
42.2 |
1.4 |
0.410 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:515 |
2 |
1 |
183 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
7 |
1 |
708 |
37.1 |
1.4 |
0.637 |
0 |
0 |
0 |
0.000 |
44 |
|
[T5Y]A:510 |
3 |
1 |
230 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
6 |
1 |
708 |
36.5 |
0.4 |
0.363 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:516 |
2 |
1 |
185 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
708 |
33.7 |
0.7 |
0.575 |
0 |
0 |
0 |
0.000 |
46 |
|
[EDO]A:504 |
3 |
1 |
184 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
4 |
2 |
13765 |
29.4 |
0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
47 |
|
[DMS]A:506 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
13765 |
27.9 |
-0.2 |
0.136 |
0 |
0 |
0 |
0.003 |
48 |
|
A |
7 |
3 |
13765 |
◊ |
[DMS]A:506 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
208 |
26.9 |
0.7 |
0.480 |
0 |
0 |
0 |
0.000 |
49 |
|
[SO4]A:514 |
3 |
1 |
186 |
f |
[T5Y]A:511 |
x,y,z |
1_555 |
3 |
1 |
232 |
25.0 |
-2.1 |
0.234 |
0 |
0 |
0 |
0.027 |
50 |
|
[EDO]A:515 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
13765 |
19.5 |
-0.1 |
0.442 |
0 |
0 |
0 |
0.001 |
51 |
|
[DMS]A:506 |
2 |
1 |
208 |
f |
[LU8]A:508 |
x,y,z |
1_555 |
6 |
1 |
705 |
18.9 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.001 |
52 |
|
A |
1 |
1 |
13765 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
708 |
17.0 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
53 |
|
[T5Y]A:510 |
2 |
1 |
230 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
13635 |
10.6 |
0.5 |
0.319 |
0 |
0 |
0 |
0.000 |
54 |
|
[SO4]A:514 |
1 |
1 |
186 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.2 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.008 |
55 |
|
[SO4]A:513 |
1 |
1 |
184 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
705 |
4.8 |
-0.7 |
0.762 |
0 |
0 |
0 |
0.000 |
56 |
|
[DMS]B:504 |
2 |
1 |
207 |
f |
A |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
13765 |
2.1 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]B:507 |
1 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13765 |
2.0 |
0.1 |
0.896 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]B:508 |
2 |
1 |
182 |
f |
A |
x-1/2,y+1/2,z-1 |
3_454 |
1 |
1 |
13765 |
1.9 |
0.0 |
0.857 |
0 |
0 |
0 |
0.000 |
59 |
|
A |
1 |
1 |
13765 |
◊ |
[SO4]A:512 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
185 |
0.6 |
-0.1 |
0.838 |
0 |
0 |
0 |
0.000 |
|